2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

C51H31N3O2 — CID 134199171

IUPAC2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-45-43(31-36)47-42(21-11-23-46(47)55-45)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-20-41-40-18-7-8-22-44(40)56-48(39)41/h1-31H
InChIKeyPTUCSEQQRUKDQY-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine

2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 134199171) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID134199171
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)n6)c5c4c3)cc2)cc1
InChIInChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-45-43(31-36)47-42(21-11-23-46(47)55-45)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-20-41-40-18-7-8-22-44(40)56-48(39)41/h1-31H
InChIKeyPTUCSEQQRUKDQY-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(2-phenylphenyl)-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[2-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[8-[4-[3-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 158497651
2-(10-dibenzofuran-4-ylnaphtho[2,1-b][1]benzofuran-5-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 156558260
2-[8-(10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaen-8-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 146431714
2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine;2,4-bis(4-phenylphenyl)-6-[6-(4-phenylphenyl)dibenzofuran-4-yl]-1,3,5-triazine;2-(6-phenyldibenzofuran-1-yl)-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 164999479
2-(6-dibenzofuran-2-yldibenzofuran-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 146519914
2-phenyl-4-(3-phenylphenyl)-6-[8-[5-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 140946220
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[6-(3-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 164808483
2-dibenzofuran-4-yl-4-[8-(2-phenylphenyl)dibenzofuran-1-yl]-6-[3-[8-[4-phenyl-6-[3-[8-(4-phenylphenyl)dibenzofuran-1-yl]phenyl]-1,3,5-triazin-2-yl]dibenzofuran-3-yl]phenyl]-1,3,5-triazine
CID 163821422
2-dibenzofuran-4-yl-4-phenyl-6-[3-(8-triphenylen-2-yldibenzofuran-1-yl)phenyl]-1,3,5-triazine
CID 134198762
2-[3-(9-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 148688171

Frequently Asked Questions

What is the IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine (CID 134199171) is 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3ccc4oc5cccc(-c6nc(-c7ccccc7)nc(-c7cccc(-c8cccc9c8oc8ccccc89)c7)n6)c5c4c3)cc2)cc1.
What is the InChIKey of 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is PTUCSEQQRUKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-3-12-32(13-4-1)33-24-26-34(27-25-33)36-28-29-45-43(31-36)47-42(21-11-23-46(47)55-45)51-53-49(35-14-5-2-6-15-35)52-50(54-51)38-17-9-16-37(30-38)39-19-10-20-41-40-18-7-8-22-44(40)56-48(39)41/h1-31H.
What are the key properties of 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine?
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 134199171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).